MMsINC Database Search


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MMsINC code: MMs02914610

Type: Neutral
Formula: C₂₀H₁₈N₂O

SMILES:

O=C(N(Cc1ccccc1)c1ncccc1)c1cc(ccc1)C

InChI:

InChI=1/C20H18N2O/c1-16-8-7-11-18(14-16)20(23)22(19-12-5-6-13-21-19)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.944 kcal/mol

Physical Properties
Molecular Weight: 302.377 g/mol	logS: -4.54382	SlogP: 4.50342	Reactive groups: 0

Topological Properties
Globularity: 0.063596	Sterimol/B1: 3.22659	Sterimol/B2: 3.92564	Sterimol/B3: 5.4082
Sterimol/B4: 5.43245	Sterimol/L: 14.5215

Surface and Volume Properties
Accessible surface: 544.681	Positive charged surface: 318.957	Negative charged surface: 225.724	Volume: 305.875
Hydrophobic surface: 510.08	Hydrophilic surface: 34.601

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.