MMsINC Database Search


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MMsINC code: MMs00589758

Type: Neutral
Formula: C₁₉H₁₇NO

SMILES:

O1c2c(CN(C1)c1ccc(cc1)C)c1c(cc2)cccc1

InChI:

InChI=1/C19H17NO/c1-14-6-9-16(10-7-14)20-12-18-17-5-3-2-4-15(17)8-11-19(18)21-13-20/h2-11H,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.618 kcal/mol

Physical Properties
Molecular Weight: 275.351 g/mol	logS: -5.33671	SlogP: 4.77112	Reactive groups: 0

Topological Properties
Globularity: 0.0155436	Sterimol/B1: 2.80302	Sterimol/B2: 2.8266	Sterimol/B3: 4.06062
Sterimol/B4: 5.99168	Sterimol/L: 15.8104

Surface and Volume Properties
Accessible surface: 504.876	Positive charged surface: 288.046	Negative charged surface: 206.707	Volume: 280.375
Hydrophobic surface: 475.932	Hydrophilic surface: 28.944

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.