MMsINC Database Search


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MMsINC code: MMs01784703

Type: Neutral
Formula: C₂₀H₁₈N₂

SMILES:

[nH]1c2c(cc3c(nc(cc3-c3ccccc3)C)c2)c(C)c1C

InChI:

InChI=1/C20H18N2/c1-12-9-17(15-7-5-4-6-8-15)18-10-16-13(2)14(3)22-19(16)11-20(18)21-12/h4-11,22H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.808 kcal/mol

Physical Properties
Molecular Weight: 286.378 g/mol	logS: -5.47695	SlogP: 5.30836	Reactive groups: 0

Topological Properties
Globularity: 0.0433153	Sterimol/B1: 2.35704	Sterimol/B2: 2.98623	Sterimol/B3: 3.19764
Sterimol/B4: 10.0416	Sterimol/L: 13.3917

Surface and Volume Properties
Accessible surface: 541.32	Positive charged surface: 319.033	Negative charged surface: 207.401	Volume: 297.125
Hydrophobic surface: 493.754	Hydrophilic surface: 47.566

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

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Ions/Tautomers related molecules: no related molecules available.