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MMsINC code: MMs00847472

Type: Neutral
Formula: C₁₈H₁₉NO₃

SMILES:

OC(=O)c1ccccc1C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C18H19NO3/c1-13(11-12-14-7-3-2-4-8-14)19-17(20)15-9-5-6-10-16(15)18(21)22/h2-10,13H,11-12H2,1H3,(H,19,20)(H,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.0566 kcal/mol

Physical Properties
Molecular Weight: 297.354 g/mol	logS: -3.85876	SlogP: 3.13587	Reactive groups: 0

Topological Properties
Globularity: 0.0439856	Sterimol/B1: 2.30178	Sterimol/B2: 2.53434	Sterimol/B3: 3.94382
Sterimol/B4: 8.30953	Sterimol/L: 16.2122

Surface and Volume Properties
Accessible surface: 553.035	Positive charged surface: 328.435	Negative charged surface: 224.6	Volume: 296.375
Hydrophobic surface: 425.108	Hydrophilic surface: 127.927

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs00847473
CHEMDIV-ZINC00261244