MMsINC Database Search


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MMsINC code: MMs02250153

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

OC(C(=O)N(Cc1ccccc1)Cc1ccccc1)C

InChI:

InChI=1/C17H19NO2/c1-14(19)17(20)18(12-15-8-4-2-5-9-15)13-16-10-6-3-7-11-16/h2-11,14,19H,12-13H2,1H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.547 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -3.31759	SlogP: 3.129	Reactive groups: 0

Topological Properties
Globularity: 0.108191	Sterimol/B1: 2.65213	Sterimol/B2: 3.45705	Sterimol/B3: 3.99455
Sterimol/B4: 7.97471	Sterimol/L: 13.688

Surface and Volume Properties
Accessible surface: 492.357	Positive charged surface: 283.469	Negative charged surface: 208.888	Volume: 272.25
Hydrophobic surface: 398.335	Hydrophilic surface: 94.022

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.