MMsINC Database Search


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MMsINC code: MMs01178359

Type: Neutral
Formula: C₂₄H₁₈N₂O₃

SMILES:

O1c2cc(ccc2OC1)CN(C(=O)c1c2c(ncc1)cccc2)c1ccccc1

InChI:

InChI=1/C24H18N2O3/c27-24(20-12-13-25-21-9-5-4-8-19(20)21)26(18-6-2-1-3-7-18)15-17-10-11-22-23(14-17)29-16-28-22/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.738 kcal/mol

Physical Properties
Molecular Weight: 382.419 g/mol	logS: -5.56042	SlogP: 5.0769	Reactive groups: 0

Topological Properties
Globularity: 0.251977	Sterimol/B1: 3.06884	Sterimol/B2: 4.04472	Sterimol/B3: 5.947
Sterimol/B4: 9.64147	Sterimol/L: 14.3461

Surface and Volume Properties
Accessible surface: 588.813	Positive charged surface: 355.062	Negative charged surface: 231.4	Volume: 358.5
Hydrophobic surface: 491.293	Hydrophilic surface: 97.52

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.