MMsINC Database Search


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MMsINC code: MMs01943159

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O(C)c1cc2c([nH]c(C(=O)N3CCc4c3cccc4)c2C)cc1

InChI:

InChI=1/C19H18N2O2/c1-12-15-11-14(23-2)7-8-16(15)20-18(12)19(22)21-10-9-13-5-3-4-6-17(13)21/h3-8,11,20H,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3214 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -4.08642	SlogP: 3.68779	Reactive groups: 0

Topological Properties
Globularity: 0.00914604	Sterimol/B1: 1.969	Sterimol/B2: 2.47243	Sterimol/B3: 2.51988
Sterimol/B4: 7.28403	Sterimol/L: 18.4028

Surface and Volume Properties
Accessible surface: 547.535	Positive charged surface: 353.111	Negative charged surface: 188.771	Volume: 302.375
Hydrophobic surface: 506.175	Hydrophilic surface: 41.36

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.