MMsINC Database Search


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MMsINC code: MMs01957266

Type: Neutral
Formula: C₂₄H₁₆N₂O

SMILES:

Oc1ccccc1-c1nc2c(c3c(nccc3)cc2)c(c1)-c1ccccc1

InChI:

InChI=1/C24H16N2O/c27-23-11-5-4-9-17(23)22-15-19(16-7-2-1-3-8-16)24-18-10-6-14-25-20(18)12-13-21(24)26-22/h1-15,27H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.365 kcal/mol

Physical Properties
Molecular Weight: 348.405 g/mol	logS: -7.02157	SlogP: 5.8226	Reactive groups: 0

Topological Properties
Globularity: 0.0434509	Sterimol/B1: 2.23469	Sterimol/B2: 3.5566	Sterimol/B3: 3.57337
Sterimol/B4: 9.64078	Sterimol/L: 15.6806

Surface and Volume Properties
Accessible surface: 576.988	Positive charged surface: 339.458	Negative charged surface: 222.56	Volume: 338.375
Hydrophobic surface: 502.795	Hydrophilic surface: 74.193

Pharmacophoric Properties
Hydrogen bond donors: 1	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.