MMsINC Database Search


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MMsINC code: MMs01958845

Type: Neutral
Formula: C₂₃H₁₈N₂O₄

SMILES:

O(C)c1c2c(-c3nccc4c5c(n(c34)C2=O)ccc(O)c5CC=C)ccc1OC

InChI:

InChI=1/C23H18N2O4/c1-4-5-12-16(26)8-7-15-18(12)14-10-11-24-20-13-6-9-17(28-2)22(29-3)19(13)23(27)25(15)21(14)20/h4,6-11,26H,1,5H2,2-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.259 kcal/mol

Physical Properties
Molecular Weight: 386.407 g/mol	logS: -5.95919	SlogP: 4.30967	Reactive groups: 0

Topological Properties
Globularity: 0.0325517	Sterimol/B1: 2.54989	Sterimol/B2: 3.95892	Sterimol/B3: 5.18523
Sterimol/B4: 6.11789	Sterimol/L: 16.7191

Surface and Volume Properties
Accessible surface: 607.73	Positive charged surface: 410.856	Negative charged surface: 180.952	Volume: 358.25
Hydrophobic surface: 475.84	Hydrophilic surface: 131.89

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.