MMsINC Database Search


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MMsINC code: MMs01842033

Type: Neutral
Formula: C₂₀H₁₅NO

SMILES:

O=C(n1c2c(c3c1cccc3)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C20H15NO/c1-14-10-12-15(13-11-14)20(22)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.6112 kcal/mol

Physical Properties
Molecular Weight: 285.346 g/mol	logS: -6.0446	SlogP: 4.79142	Reactive groups: 0

Topological Properties
Globularity: 0.137744	Sterimol/B1: 2.5136	Sterimol/B2: 5.8176	Sterimol/B3: 5.85497
Sterimol/B4: 6.05421	Sterimol/L: 13.5979

Surface and Volume Properties
Accessible surface: 523.488	Positive charged surface: 262.867	Negative charged surface: 250.693	Volume: 289
Hydrophobic surface: 496.144	Hydrophilic surface: 27.344

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.