MMsINC Database Search


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MMsINC code: MMs02236705

Type: Neutral
Formula: C₂₀H₁₈N₂O

SMILES:

O=C(N)c1c2CC(c3c(-c2nc2c1cccc2)cccc3)(C)C

InChI:

InChI=1/C20H18N2O/c1-20(2)11-14-17(19(21)23)13-8-4-6-10-16(13)22-18(14)12-7-3-5-9-15(12)20/h3-10H,11H2,1-2H3,(H2,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0473 kcal/mol

Physical Properties
Molecular Weight: 302.377 g/mol	logS: -6.18351	SlogP: 3.83437	Reactive groups: 0

Topological Properties
Globularity: 0.0713411	Sterimol/B1: 2.09723	Sterimol/B2: 3.97233	Sterimol/B3: 5.1254
Sterimol/B4: 7.00329	Sterimol/L: 14.0463

Surface and Volume Properties
Accessible surface: 515.236	Positive charged surface: 297.901	Negative charged surface: 208.757	Volume: 298.625
Hydrophobic surface: 380.988	Hydrophilic surface: 134.248

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

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Ions/Tautomers related molecules: no related molecules available.