MMsINC Database Search


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MMsINC code: MMs02651698

Type: Neutral
Formula: C₁₈H₂₇FN₂O

SMILES:

Fc1ccccc1CN1CCC(CC1)C(=O)NCCC(C)C

InChI:

InChI=1/C18H27FN2O/c1-14(2)7-10-20-18(22)15-8-11-21(12-9-15)13-16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.6375 kcal/mol

Physical Properties
Molecular Weight: 306.425 g/mol	logS: -3.59216	SlogP: 3.4664	Reactive groups: 0

Topological Properties
Globularity: 0.0524263	Sterimol/B1: 2.78436	Sterimol/B2: 3.32788	Sterimol/B3: 4.36476
Sterimol/B4: 6.80542	Sterimol/L: 17.4924

Surface and Volume Properties
Accessible surface: 593.262	Positive charged surface: 422.876	Negative charged surface: 170.385	Volume: 318.625
Hydrophobic surface: 508.801	Hydrophilic surface: 84.461

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

MMs02651699
PUBCHEM-ZINC00299638