MMsINC Database Search


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MMsINC code: MMs02619584

Type: Neutral
Formula: C₂₉H₁₆N₂O₄

SMILES:

o1c2c(c3c(oc4c1cc1c(c4)C(=O)N(C1=O)c1c4c(nccc4)ccc1)cccc3)cc
cc2

InChI:

InChI=1/C29H16N2O4/c32-28-20-15-26-27(35-25-13-4-2-8-18(25)17-7-1-3-12-24(17)34-26)16-21(20)29(33)31(28)23-11-5-10-22-19(23)9-6-14-30-22/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=195.458 kcal/mol

Physical Properties
Molecular Weight: 456.457 g/mol	logS: -10.1503	SlogP: 6.8054	Reactive groups: 0

Topological Properties
Globularity: 0.139898	Sterimol/B1: 3.41448	Sterimol/B2: 4.35557	Sterimol/B3: 5.49039
Sterimol/B4: 8.80166	Sterimol/L: 16.7853

Surface and Volume Properties
Accessible surface: 685.798	Positive charged surface: 351.399	Negative charged surface: 320.203	Volume: 412.125
Hydrophobic surface: 557.035	Hydrophilic surface: 128.763

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.