MMsINC Database Search


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MMsINC code: MMs03545410

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)=117.956 kcal/mol

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

Topological Properties
Globularity: 0.172675	Sterimol/B1: 2.83097	Sterimol/B2: 3.16954	Sterimol/B3: 4.84952
Sterimol/B4: 7.40206	Sterimol/L: 14.3704

Surface and Volume Properties
Accessible surface: 509.198	Positive charged surface: 292.246	Negative charged surface: 208.105	Volume: 285.875
Hydrophobic surface: 393.581	Hydrophilic surface: 115.617

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.