MMsINC Database Search


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MMsINC code: MMs01746377

Type: Neutral
Formula: C₁₅H₁₈N₂O

SMILES:

O=C(N1CCc2[nH]c3c(c2C1)cccc3)C(C)C

InChI:

InChI=1/C15H18N2O/c1-10(2)15(18)17-8-7-14-12(9-17)11-5-3-4-6-13(11)16-14/h3-6,10,16H,7-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4502 kcal/mol

Physical Properties
Molecular Weight: 242.322 g/mol	logS: -2.46261	SlogP: 2.97497	Reactive groups: 0

Topological Properties
Globularity: 0.0725073	Sterimol/B1: 2.41969	Sterimol/B2: 3.84329	Sterimol/B3: 4.6212
Sterimol/B4: 4.86409	Sterimol/L: 14.6473

Surface and Volume Properties
Accessible surface: 473.377	Positive charged surface: 312.531	Negative charged surface: 155.357	Volume: 247.5
Hydrophobic surface: 375.144	Hydrophilic surface: 98.233

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.