MMsINC Database Search


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MMsINC code: MMs03545411

Type: Neutral
Formula: C₁₉H₁₇NO₂

SMILES:

OC(=O)C(N)C(c1cc2c(cc1)cccc2)c1ccccc1

InChI:

InChI=1/C19H17NO2/c20-18(19(21)22)17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12,17-18H,20H2,(H,21,22)/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.74 kcal/mol

Physical Properties
Molecular Weight: 291.35 g/mol	logS: -4.62745	SlogP: 3.3836	Reactive groups: 0

Topological Properties
Globularity: 0.121253	Sterimol/B1: 2.60309	Sterimol/B2: 3.59969	Sterimol/B3: 4.22719
Sterimol/B4: 6.79779	Sterimol/L: 14.0847

Surface and Volume Properties
Accessible surface: 504.751	Positive charged surface: 291.91	Negative charged surface: 204.346	Volume: 284.625
Hydrophobic surface: 392.076	Hydrophilic surface: 112.675

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.