MMsINC Database Search


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MMsINC code: MMs02354153

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

OC(C(NCC(=O)N)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H18N2O2/c17-14(19)11-18-15(12-7-3-1-4-8-12)16(20)13-9-5-2-6-10-13/h1-10,15-16,18,20H,11H2,(H2,17,19)/t15-,16+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4062 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -2.9693	SlogP: 1.7272	Reactive groups: 0

Topological Properties
Globularity: 0.15137	Sterimol/B1: 2.53628	Sterimol/B2: 3.26572	Sterimol/B3: 4.56251
Sterimol/B4: 8.21065	Sterimol/L: 14.4141

Surface and Volume Properties
Accessible surface: 501.495	Positive charged surface: 307.212	Negative charged surface: 194.283	Volume: 267.875
Hydrophobic surface: 350.406	Hydrophilic surface: 151.089

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.