MMsINC Database Search


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MMsINC code: MMs02555155

Type: Neutral
Formula: C₂₄H₁₅NO₂

SMILES:

O=C1N(C(=O)c2c3c1cccc3ccc2)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H15NO2/c26-23-20-10-4-8-18-9-5-11-21(22(18)20)24(27)25(23)19-14-12-17(13-15-19)16-6-2-1-3-7-16/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.455 kcal/mol

Physical Properties
Molecular Weight: 349.389 g/mol	logS: -8.06285	SlogP: 5.3074	Reactive groups: 0

Topological Properties
Globularity: 0.0534009	Sterimol/B1: 3.62744	Sterimol/B2: 3.62761	Sterimol/B3: 4.83948
Sterimol/B4: 4.8402	Sterimol/L: 18.4732

Surface and Volume Properties
Accessible surface: 591.027	Positive charged surface: 282.6	Negative charged surface: 284.562	Volume: 336.625
Hydrophobic surface: 530.178	Hydrophilic surface: 60.849

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.