MMsINC Database Search


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MMsINC code: MMs00097381

Type: Neutral
Formula: C₂₀H₁₈N₂O

SMILES:

O=C(N(Cc1ccccc1)c1ccc(cc1)C)c1ccncc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=187.424 kcal/mol

Physical Properties
Molecular Weight: 302.377 g/mol	logS: -4.23256	SlogP: 4.50342	Reactive groups: 0

Topological Properties
Globularity: 0.109176	Sterimol/B1: 3.74321	Sterimol/B2: 4.23	Sterimol/B3: 5.01523
Sterimol/B4: 6.62079	Sterimol/L: 14.3501

Surface and Volume Properties
Accessible surface: 537.168	Positive charged surface: 340.028	Negative charged surface: 197.14	Volume: 302.5
Hydrophobic surface: 492.615	Hydrophilic surface: 44.553

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.