MMsINC Database Search


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MMsINC code: MMs02360227

Type: Neutral
Formula: C₁₆H₁₇NO₂

SMILES:

O(Cc1ccccc1)c1cc2NCCc2cc1OC

InChI:

InChI=1/C16H17NO2/c1-18-15-9-13-7-8-17-14(13)10-16(15)19-11-12-5-3-2-4-6-12/h2-6,9-10,17H,7-8,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.6226 kcal/mol

Physical Properties
Molecular Weight: 255.317 g/mol	logS: -3.23387	SlogP: 3.50857	Reactive groups: 0

Topological Properties
Globularity: 0.0625477	Sterimol/B1: 2.39625	Sterimol/B2: 3.61612	Sterimol/B3: 3.61966
Sterimol/B4: 8.23525	Sterimol/L: 15.0261

Surface and Volume Properties
Accessible surface: 518.839	Positive charged surface: 373.83	Negative charged surface: 145.009	Volume: 258
Hydrophobic surface: 461.509	Hydrophilic surface: 57.33

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.