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MMsINC code: MMs02863648

Type: Neutral
Formula: C₁₉H₃₂ClNO

SMILES:

Clc1cc(ccc1C)C(O)CN(CCCCC)CCCCC

InChI:

InChI=1/C19H32ClNO/c1-4-6-8-12-21(13-9-7-5-2)15-19(22)17-11-10-16(3)18(20)14-17/h10-11,14,19,22H,4-9,12-13,15H2,1-3H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5485 kcal/mol

Physical Properties
Molecular Weight: 325.924 g/mol	logS: -5.06739	SlogP: 5.45972	Reactive groups: 0

Topological Properties
Globularity: 0.0543631	Sterimol/B1: 2.32365	Sterimol/B2: 3.10003	Sterimol/B3: 3.87013
Sterimol/B4: 12.4305	Sterimol/L: 17.181

Surface and Volume Properties
Accessible surface: 664.132	Positive charged surface: 449.696	Negative charged surface: 214.436	Volume: 355
Hydrophobic surface: 584.877	Hydrophilic surface: 79.255

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02863649
PUBCHEM-ZINC02042616